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Information card for entry 1506864
Preview
Coordinates | 1506864.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H16 Br2 O4 |
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Calculated formula | C20 H16 Br2 O4 |
SMILES | [CH](C(=O)OCc1ccc(cc1)Br)[C@H](C(=O)OCc1ccc(cc1)Br)/C=C/[C@H](C(=O)OCc1ccc(cc1)Br)[C@H](C(=O)OCc1ccc(cc1)Br)/C=C/[C@H](C(=O)OCc1ccc(cc1)Br)[CH]C(=O)OCc1ccc(cc1)Br |
Title of publication | Two-Step and Reversible Phase Transitions of Organic Polymer Crystals Produced by Topochemical Polymerization |
Authors of publication | Matsumoto, Akikazu; Nakazawa, Hideyuki |
Journal of publication | Macromolecules |
Year of publication | 2004 |
Journal volume | 37 |
Journal issue | 23 |
Pages of publication | 8538 |
a | 5.837 ± 0.002 Å |
b | 4.856 ± 0.001 Å |
c | 32.742 ± 0.009 Å |
α | 90° |
β | 91.05 ± 0.02° |
γ | 90° |
Cell volume | 927.9 ± 0.5 Å3 |
Cell temperature | 303.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for all reflections included in the refinement | 0.091 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506864.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506864.cif |
51502 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506864 via cif-deposit CGI script. |
1506864.cif |
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Users of the data should acknowledge the original authors of the
structural data.